ethyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y010-1671 |
| Compound Name: | ethyl 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC=C3C(N(C)C(N(C)C3=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4969 |
| logD: | -3.1345 |
| logSw: | -4.0015 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.195 |
| InChI Key: | VSDNJYCAZXKHAJ-LLVKDONJSA-N |